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April 22, 2026Drug Development Research2 citations

Artificial Intelligence in Drug Discovery and Development: Transforming Pharmaceutical Innovation

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MAMohd Shoab AliTATaha AlqahtaniHSHumood Al Shmrany

Key Points

  • The aim is to explore the transformative role of AI in drug discovery and development.
  • Critical review of AI applications in pharmaceutical innovation
  • Analysis of collaborative models between AI developers and the pharmaceutical industry
  • Discussion of challenges and future directions in AI drug development
  • AI improves efficiency in target identification and lead optimization
  • Increased accuracy in predicting toxicity and pharmacokinetics
  • Reduces late-stage attrition in drug development

Abstract

Drug discovery remains a lengthy, costly, and high-risk endeavor, often requiring over a decade from target identification to clinical translation. Artificial intelligence (AI) is reshaping this paradigm by enabling more efficient and accurate decision-making across the discovery and development pipeline. Advances in machine learning, deep learning, and natural language processing now support target identification, hit finding, lead optimization, and drug repurposing with unprecedented speed and precision. AI-driven insilico platforms further enhance early-stage predictability by forecasting toxicity, pharmacokinetics, and developability, thereby reducing late-stage attrition. This review critically examines the evolving role of AI in modern drug discovery and its expanding impact on pharmaceutical formulation development and personalized medicine. Collaborative models between AI developers and the pharmaceutical industries, essential for accelerating translational outcomes, are also highlighted. Finally, key challenges, including algorithmic transparency, data quality, interoperability, and regulatory acceptance, are discussed, along with future directions for harnessing AI's full potential in pharmaceutics.

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Cite This Study

Ali et al. (2026) studied this question.

synapsesocial.com/papers/69e865126e0dea528dde9a08https://doi.org/10.1002/ddr.70281
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